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Compile Data Set for Download or QSAR

Found 87 hits with Last Name = 'fallon' and Initial = 'd'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peregrin


(Homo sapiens (Human))
BDBM50189403
PNG
(CHEMBL3828191)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCNC[C@H]1C |r|
Show InChI InChI=1/C22H27N5O3/c1-14-13-23-9-10-27(14)17-12-19-18(25(2)22(29)26(19)3)11-16(17)24-21(28)15-7-5-6-8-20(15)30-4/h5-8,11-12,14,23H,9-10,13H2,1-4H3,(H,24,28)/t14-/s2
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n/an/a 2.5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full length BRPF1 in human HUT78 cell nuclear/chromatin extract after 45 mins by chemoproteomic competition binding assay


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peregrin


(Homo sapiens (Human))
BDBM50189392
PNG
(CHEMBL3828311)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCC[C@H]1C |r|
Show InChI InChI=1/C22H26N4O3/c1-14-8-7-11-26(14)17-13-19-18(24(2)22(28)25(19)3)12-16(17)23-21(27)15-9-5-6-10-20(15)29-4/h5-6,9-10,12-14H,7-8,11H2,1-4H3,(H,23,27)/t14-/s2
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n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50189403
PNG
(CHEMBL3828191)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCNC[C@H]1C |r|
Show InChI InChI=1/C22H27N5O3/c1-14-13-23-9-10-27(14)17-12-19-18(25(2)22(29)26(19)3)11-16(17)24-21(28)15-7-5-6-8-20(15)30-4/h5-8,11-12,14,23H,9-10,13H2,1-4H3,(H,24,28)/t14-/s2
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n/an/a 7.90n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peregrin


(Homo sapiens (Human))
BDBM50189402
PNG
(CHEMBL3828008)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCC[C@@H]1C |r|
Show InChI InChI=1/C22H26N4O3/c1-14-8-7-11-26(14)17-13-19-18(24(2)22(28)25(19)3)12-16(17)23-21(27)15-9-5-6-10-20(15)29-4/h5-6,9-10,12-14H,7-8,11H2,1-4H3,(H,23,27)/t14-/s2
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50189403
PNG
(CHEMBL3828191)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCNC[C@H]1C |r|
Show InChI InChI=1/C22H27N5O3/c1-14-13-23-9-10-27(14)17-12-19-18(25(2)22(29)26(19)3)11-16(17)24-21(28)15-7-5-6-8-20(15)30-4/h5-8,11-12,14,23H,9-10,13H2,1-4H3,(H,24,28)/t14-/s2
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n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to NanoLuc-tagged BRPF1 isoform 1 bromodomain (625 to 735 residues) (unknown origin) expressed in HEK293 cells co-transfected with h...


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peregrin


(Homo sapiens (Human))
BDBM50189353
PNG
(CHEMBL3827767)
Show SMILES COc1ncccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1OC(C)C
Show InChI InChI=1S/C19H22N4O4/c1-11(2)27-16-10-15-14(22(3)19(25)23(15)4)9-13(16)21-17(24)12-7-6-8-20-18(12)26-5/h6-11H,1-5H3,(H,21,24)
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50189409
PNG
(CHEMBL3828684)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1OC(C)C
Show InChI InChI=1S/C20H23N3O4/c1-12(2)27-18-11-16-15(22(3)20(25)23(16)4)10-14(18)21-19(24)13-8-6-7-9-17(13)26-5/h6-12H,1-5H3,(H,21,24)
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50032927
PNG
(CHEMBL3356143 | N-[2,3-Dihydro-1,3-dimethyl-2-oxo-...)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCCC1
Show InChI InChI=1S/C21H24N4O3/c1-23-17-12-15(22-20(26)14-8-4-5-9-19(14)28-3)16(25-10-6-7-11-25)13-18(17)24(2)21(23)27/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,22,26)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to 6H-Flag-tagged Tev-BRPF1 (622-738 aa) (unknown origin) by TR-FRET competitive assay


ACS Med Chem Lett 5: 1190-5 (2014)


Article DOI: 10.1021/ml5002932
BindingDB Entry DOI: 10.7270/Q2445P29
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peregrin


(Homo sapiens (Human))
BDBM50032927
PNG
(CHEMBL3356143 | N-[2,3-Dihydro-1,3-dimethyl-2-oxo-...)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCCC1
Show InChI InChI=1S/C21H24N4O3/c1-23-17-12-15(22-20(26)14-8-4-5-9-19(14)28-3)16(25-10-6-7-11-25)13-18(17)24(2)21(23)27/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,22,26)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peregrin


(Homo sapiens (Human))
BDBM50189408
PNG
(CHEMBL3828194)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N(C)C
Show InChI InChI=1S/C19H22N4O3/c1-21(2)14-11-16-15(22(3)19(25)23(16)4)10-13(14)20-18(24)12-8-6-7-9-17(12)26-5/h6-11H,1-5H3,(H,20,24)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50189348
PNG
(CHEMBL3827114)
Show SMILES CC(C)Oc1cc2n(C)c(=O)n(C)c2cc1NC(=O)c1ccccn1
Show InChI InChI=1S/C18H20N4O3/c1-11(2)25-16-10-15-14(21(3)18(24)22(15)4)9-13(16)20-17(23)12-7-5-6-8-19-12/h5-11H,1-4H3,(H,20,23)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50189357
PNG
(CHEMBL3827560)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCNCC1
Show InChI InChI=1S/C21H25N5O3/c1-24-17-12-15(23-20(27)14-6-4-5-7-19(14)29-3)16(26-10-8-22-9-11-26)13-18(17)25(2)21(24)28/h4-7,12-13,22H,8-11H2,1-3H3,(H,23,27)
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n/an/a 79n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50032912
PNG
(CHEMBL1522313)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCCCC1
Show InChI InChI=1S/C22H26N4O3/c1-24-18-13-16(23-21(27)15-9-5-6-10-20(15)29-3)17(26-11-7-4-8-12-26)14-19(18)25(2)22(24)28/h5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3,(H,23,27)
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n/an/a 79n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to 6H-Flag-tagged Tev-BRPF1 (622-738 aa) (unknown origin) by TR-FRET competitive assay


ACS Med Chem Lett 5: 1190-5 (2014)


Article DOI: 10.1021/ml5002932
BindingDB Entry DOI: 10.7270/Q2445P29
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peregrin


(Homo sapiens (Human))
BDBM50189405
PNG
(CHEMBL3828354)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCN[C@@H](C)C1 |r|
Show InChI InChI=1/C22H27N5O3/c1-14-13-27(10-9-23-14)17-12-19-18(25(2)22(29)26(19)3)11-16(17)24-21(28)15-7-5-6-8-20(15)30-4/h5-8,11-12,14,23H,9-10,13H2,1-4H3,(H,24,28)/t14-/s2
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50189354
PNG
(CHEMBL3828061)
Show SMILES COc1cccnc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1OC(C)C
Show InChI InChI=1S/C19H22N4O4/c1-11(2)27-16-10-14-13(22(3)19(25)23(14)4)9-12(16)21-18(24)17-15(26-5)7-6-8-20-17/h6-11H,1-5H3,(H,21,24)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50032918
PNG
(CHEMBL3356140)
Show SMILES COc1cccc(c1)C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCCCC1
Show InChI InChI=1S/C22H26N4O3/c1-24-19-13-17(23-21(27)15-8-7-9-16(12-15)29-3)18(26-10-5-4-6-11-26)14-20(19)25(2)22(24)28/h7-9,12-14H,4-6,10-11H2,1-3H3,(H,23,27)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to 6H-Flag-tagged Tev-BRPF1 (622-738 aa) (unknown origin) by TR-FRET competitive assay


ACS Med Chem Lett 5: 1190-5 (2014)


Article DOI: 10.1021/ml5002932
BindingDB Entry DOI: 10.7270/Q2445P29
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50189340
PNG
(CHEMBL3828146)
Show SMILES CC(C)Oc1cc2n(C)c(=O)n(C)c2cc1NC(=O)c1ccccc1OCC(=O)N(C)C
Show InChI InChI=1S/C23H28N4O5/c1-14(2)32-20-12-18-17(26(5)23(30)27(18)6)11-16(20)24-22(29)15-9-7-8-10-19(15)31-13-21(28)25(3)4/h7-12,14H,13H2,1-6H3,(H,24,29)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50189411
PNG
(CHEMBL3827996)
Show SMILES CC(C)Oc1cc2n(C)c(=O)n(C)c2cc1NC(=O)c1ccccc1OCC(N)=O
Show InChI InChI=1S/C21H24N4O5/c1-12(2)30-18-10-16-15(24(3)21(28)25(16)4)9-14(18)23-20(27)13-7-5-6-8-17(13)29-11-19(22)26/h5-10,12H,11H2,1-4H3,(H2,22,26)(H,23,27)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50189339
PNG
(CHEMBL3828500)
Show SMILES COCCOc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1OC(C)C
Show InChI InChI=1S/C22H27N3O5/c1-14(2)30-20-13-18-17(24(3)22(27)25(18)4)12-16(20)23-21(26)15-8-6-7-9-19(15)29-11-10-28-5/h6-9,12-14H,10-11H2,1-5H3,(H,23,26)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50032917
PNG
(CHEMBL1724375)
Show SMILES Cn1c2cc(NC(=O)c3ccccc3)c(cc2n(C)c1=O)N1CCCCC1
Show InChI InChI=1S/C21H24N4O2/c1-23-18-13-16(22-20(26)15-9-5-3-6-10-15)17(25-11-7-4-8-12-25)14-19(18)24(2)21(23)27/h3,5-6,9-10,13-14H,4,7-8,11-12H2,1-2H3,(H,22,26)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to 6H-Flag-tagged Tev-BRPF1 (622-738 aa) (unknown origin) by TR-FRET competitive assay


ACS Med Chem Lett 5: 1190-5 (2014)


Article DOI: 10.1021/ml5002932
BindingDB Entry DOI: 10.7270/Q2445P29
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50189404
PNG
(CHEMBL3828026)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCNC[C@@H]1C |r|
Show InChI InChI=1/C22H27N5O3/c1-14-13-23-9-10-27(14)17-12-19-18(25(2)22(29)26(19)3)11-16(17)24-21(28)15-7-5-6-8-20(15)30-4/h5-8,11-12,14,23H,9-10,13H2,1-4H3,(H,24,28)/t14-/s2
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50032928
PNG
(CHEMBL3356145)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1OC
Show InChI InChI=1S/C18H19N3O4/c1-20-13-9-12(16(25-4)10-14(13)21(2)18(20)23)19-17(22)11-7-5-6-8-15(11)24-3/h5-10H,1-4H3,(H,19,22)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50032924
PNG
(CHEMBL1396002)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCOCC1
Show InChI InChI=1S/C21H24N4O4/c1-23-17-12-15(22-20(26)14-6-4-5-7-19(14)28-3)16(25-8-10-29-11-9-25)13-18(17)24(2)21(23)27/h4-7,12-13H,8-11H2,1-3H3,(H,22,26)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to 6H-Flag-tagged Tev-BRPF1 (622-738 aa) (unknown origin) by TR-FRET competitive assay


ACS Med Chem Lett 5: 1190-5 (2014)


Article DOI: 10.1021/ml5002932
BindingDB Entry DOI: 10.7270/Q2445P29
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50189351
PNG
(CHEMBL3827276)
Show SMILES CC(C)Oc1cc2n(C)c(=O)n(C)c2cc1NC(=O)c1ccncn1
Show InChI InChI=1S/C17H19N5O3/c1-10(2)25-15-8-14-13(21(3)17(24)22(14)4)7-12(15)20-16(23)11-5-6-18-9-19-11/h5-10H,1-4H3,(H,20,23)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50189406
PNG
(CHEMBL3827280)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCN[C@H](C)C1 |r|
Show InChI InChI=1/C22H27N5O3/c1-14-13-27(10-9-23-14)17-12-19-18(25(2)22(29)26(19)3)11-16(17)24-21(28)15-7-5-6-8-20(15)30-4/h5-8,11-12,14,23H,9-10,13H2,1-4H3,(H,24,28)/t14-/s2
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50032928
PNG
(CHEMBL3356145)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1OC
Show InChI InChI=1S/C18H19N3O4/c1-20-13-9-12(16(25-4)10-14(13)21(2)18(20)23)19-17(22)11-7-5-6-8-15(11)24-3/h5-10H,1-4H3,(H,19,22)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to 6H-Flag-tagged Tev-BRPF1 (622-738 aa) (unknown origin) by TR-FRET competitive assay


ACS Med Chem Lett 5: 1190-5 (2014)


Article DOI: 10.1021/ml5002932
BindingDB Entry DOI: 10.7270/Q2445P29
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50189410
PNG
(CHEMBL3828449)
Show SMILES CC(C)Oc1cc2n(C)c(=O)n(C)c2cc1NC(=O)c1ccccc1OCCO
Show InChI InChI=1S/C21H25N3O5/c1-13(2)29-19-12-17-16(23(3)21(27)24(17)4)11-15(19)22-20(26)14-7-5-6-8-18(14)28-10-9-25/h5-8,11-13,25H,9-10H2,1-4H3,(H,22,26)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50189338
PNG
(CHEMBL3828399)
Show SMILES CC(C)Oc1cc2n(C)c(=O)n(C)c2cc1NC(=O)c1ccccc1OCC#N
Show InChI InChI=1S/C21H22N4O4/c1-13(2)29-19-12-17-16(24(3)21(27)25(17)4)11-15(19)23-20(26)14-7-5-6-8-18(14)28-10-9-22/h5-8,11-13H,10H2,1-4H3,(H,23,26)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50032921
PNG
(CHEMBL1444120)
Show SMILES Cc1ccc(c(C)c1)S(=O)(=O)Nc1ccc2n(C)c(=O)n(C)c2c1
Show InChI InChI=1S/C17H19N3O3S/c1-11-5-8-16(12(2)9-11)24(22,23)18-13-6-7-14-15(10-13)20(4)17(21)19(14)3/h5-10,18H,1-4H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to 6H-Flag-tagged Tev-BRPF1 (622-738 aa) (unknown origin) by TR-FRET competitive assay


ACS Med Chem Lett 5: 1190-5 (2014)


Article DOI: 10.1021/ml5002932
BindingDB Entry DOI: 10.7270/Q2445P29
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50189381
PNG
(CHEMBL3828504)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCN(C)CC1
Show InChI InChI=1S/C22H27N5O3/c1-24-9-11-27(12-10-24)17-14-19-18(25(2)22(29)26(19)3)13-16(17)23-21(28)15-7-5-6-8-20(15)30-4/h5-8,13-14H,9-12H2,1-4H3,(H,23,28)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50032916
PNG
(CHEMBL1357836)
Show SMILES Cc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCCCC1
Show InChI InChI=1S/C22H26N4O2/c1-15-9-5-6-10-16(15)21(27)23-17-13-19-20(25(3)22(28)24(19)2)14-18(17)26-11-7-4-8-12-26/h5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3,(H,23,27)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to 6H-Flag-tagged Tev-BRPF1 (622-738 aa) (unknown origin) by TR-FRET competitive assay


ACS Med Chem Lett 5: 1190-5 (2014)


Article DOI: 10.1021/ml5002932
BindingDB Entry DOI: 10.7270/Q2445P29
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50032922
PNG
(CHEMBL1701516)
Show SMILES COc1cccc(c1)C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCCC1
Show InChI InChI=1S/C21H24N4O3/c1-23-18-12-16(22-20(26)14-7-6-8-15(11-14)28-3)17(25-9-4-5-10-25)13-19(18)24(2)21(23)27/h6-8,11-13H,4-5,9-10H2,1-3H3,(H,22,26)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to 6H-Flag-tagged Tev-BRPF1 (622-738 aa) (unknown origin) by TR-FRET competitive assay


ACS Med Chem Lett 5: 1190-5 (2014)


Article DOI: 10.1021/ml5002932
BindingDB Entry DOI: 10.7270/Q2445P29
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50189337
PNG
(CHEMBL3827554)
Show SMILES CC(C)Oc1cc2n(C)c(=O)n(C)c2cc1NC(=O)c1ccccc1OCCN(C)C
Show InChI InChI=1S/C23H30N4O4/c1-15(2)31-21-14-19-18(26(5)23(29)27(19)6)13-17(21)24-22(28)16-9-7-8-10-20(16)30-12-11-25(3)4/h7-10,13-15H,11-12H2,1-6H3,(H,24,28)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50189341
PNG
(CHEMBL3827750)
Show SMILES CC(C)Oc1cc2n(C)c(=O)n(C)c2cc1NC(=O)c1ccccc1OC1CCN(C)C1
Show InChI InChI=1/C24H30N4O4/c1-15(2)31-22-13-20-19(27(4)24(30)28(20)5)12-18(22)25-23(29)17-8-6-7-9-21(17)32-16-10-11-26(3)14-16/h6-9,12-13,15-16H,10-11,14H2,1-5H3,(H,25,29)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50032914
PNG
(CHEMBL3356142)
Show SMILES Cn1c2cc(NC(=O)Cc3ccccc3)c(cc2n(C)c1=O)N1CCCCC1
Show InChI InChI=1S/C22H26N4O2/c1-24-19-14-17(23-21(27)13-16-9-5-3-6-10-16)18(26-11-7-4-8-12-26)15-20(19)25(2)22(24)28/h3,5-6,9-10,14-15H,4,7-8,11-13H2,1-2H3,(H,23,27)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to 6H-Flag-tagged Tev-BRPF1 (622-738 aa) (unknown origin) by TR-FRET competitive assay


ACS Med Chem Lett 5: 1190-5 (2014)


Article DOI: 10.1021/ml5002932
BindingDB Entry DOI: 10.7270/Q2445P29
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50189347
PNG
(CHEMBL3827629)
Show SMILES CC(C)Oc1cc2n(C)c(=O)n(C)c2cc1NC(=O)c1ccccc1
Show InChI InChI=1S/C19H21N3O3/c1-12(2)25-17-11-16-15(21(3)19(24)22(16)4)10-14(17)20-18(23)13-8-6-5-7-9-13/h5-12H,1-4H3,(H,20,23)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50032909
PNG
(CHEMBL1361770)
Show SMILES COc1cccc(c1)C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCOCC1
Show InChI InChI=1S/C21H24N4O4/c1-23-18-12-16(22-20(26)14-5-4-6-15(11-14)28-3)17(25-7-9-29-10-8-25)13-19(18)24(2)21(23)27/h4-6,11-13H,7-10H2,1-3H3,(H,22,26)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to 6H-Flag-tagged Tev-BRPF1 (622-738 aa) (unknown origin) by TR-FRET competitive assay


ACS Med Chem Lett 5: 1190-5 (2014)


Article DOI: 10.1021/ml5002932
BindingDB Entry DOI: 10.7270/Q2445P29
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50032915
PNG
(CHEMBL3356141)
Show SMILES Cn1c2cc(NC(=O)C(C)(C)C)c(cc2n(C)c1=O)N1CCCCC1
Show InChI InChI=1S/C19H28N4O2/c1-19(2,3)17(24)20-13-11-15-16(22(5)18(25)21(15)4)12-14(13)23-9-7-6-8-10-23/h11-12H,6-10H2,1-5H3,(H,20,24)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to 6H-Flag-tagged Tev-BRPF1 (622-738 aa) (unknown origin) by TR-FRET competitive assay


ACS Med Chem Lett 5: 1190-5 (2014)


Article DOI: 10.1021/ml5002932
BindingDB Entry DOI: 10.7270/Q2445P29
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50032920
PNG
(CHEMBL3356138)
Show SMILES COc1ccccc1C(=O)Nc1cc2[nH]c(=O)n(C)c2cc1N1CCCCC1
Show InChI InChI=1S/C21H24N4O3/c1-24-17-13-18(25-10-6-3-7-11-25)16(12-15(17)23-21(24)27)22-20(26)14-8-4-5-9-19(14)28-2/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3,(H,22,26)(H,23,27)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to 6H-Flag-tagged Tev-BRPF1 (622-738 aa) (unknown origin) by TR-FRET competitive assay


ACS Med Chem Lett 5: 1190-5 (2014)


Article DOI: 10.1021/ml5002932
BindingDB Entry DOI: 10.7270/Q2445P29
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50189350
PNG
(CHEMBL3828546)
Show SMILES CC(C)Oc1cc2n(C)c(=O)n(C)c2cc1NC(=O)c1ccncc1
Show InChI InChI=1S/C18H20N4O3/c1-11(2)25-16-10-15-14(21(3)18(24)22(15)4)9-13(16)20-17(23)12-5-7-19-8-6-12/h5-11H,1-4H3,(H,20,23)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50032923
PNG
(CHEMBL3356144)
Show SMILES Cn1c2cc(NC(=O)Cc3ccccc3)c(cc2n(C)c1=O)N1CCCC1
Show InChI InChI=1S/C21H24N4O2/c1-23-18-13-16(22-20(26)12-15-8-4-3-5-9-15)17(25-10-6-7-11-25)14-19(18)24(2)21(23)27/h3-5,8-9,13-14H,6-7,10-12H2,1-2H3,(H,22,26)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to 6H-Flag-tagged Tev-BRPF1 (622-738 aa) (unknown origin) by TR-FRET competitive assay


ACS Med Chem Lett 5: 1190-5 (2014)


Article DOI: 10.1021/ml5002932
BindingDB Entry DOI: 10.7270/Q2445P29
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50189345
PNG
(CHEMBL3828186)
Show SMILES CC(C)Oc1cc2n(C)c(=O)n(C)c2cc1NC(=O)C1CCNC1
Show InChI InChI=1/C17H24N4O3/c1-10(2)24-15-8-14-13(20(3)17(23)21(14)4)7-12(15)19-16(22)11-5-6-18-9-11/h7-8,10-11,18H,5-6,9H2,1-4H3,(H,19,22)
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n/an/a 794n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50032912
PNG
(CHEMBL1522313)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCCCC1
Show InChI InChI=1S/C22H26N4O3/c1-24-18-13-16(23-21(27)15-9-5-6-10-20(15)29-3)17(26-11-7-4-8-12-26)14-19(18)25(2)22(24)28/h5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3,(H,23,27)
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n/an/a 980n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to NanoLuc-tagged BRPF1 isoform 1 bromodomain (625-735 aa) (unknown origin) expressed in HEK293 cells co-transfected with histone H3...


ACS Med Chem Lett 5: 1190-5 (2014)


Article DOI: 10.1021/ml5002932
BindingDB Entry DOI: 10.7270/Q2445P29
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peregrin


(Homo sapiens (Human))
BDBM50189407
PNG
(CHEMBL3827932)
Show SMILES CCN(C(=O)c1ccccc1OC)c1cc2n(C)c(=O)n(C)c2cc1N1CCNC[C@H]1C |r|
Show InChI InChI=1/C24H31N5O3/c1-6-28(23(30)17-9-7-8-10-22(17)32-5)20-13-18-19(27(4)24(31)26(18)3)14-21(20)29-12-11-25-15-16(29)2/h7-10,13-14,16,25H,6,11-12,15H2,1-5H3/t16-/s2
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n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peregrin


(Homo sapiens (Human))
BDBM50189343
PNG
(CHEMBL3828426)
Show SMILES CC(C)Oc1cc2n(C)c(=O)n(C)c2cc1NC(C)=O
Show InChI InChI=1S/C14H19N3O3/c1-8(2)20-13-7-12-11(6-10(13)15-9(3)18)16(4)14(19)17(12)5/h6-8H,1-5H3,(H,15,18)
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n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50032912
PNG
(CHEMBL1522313)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCCCC1
Show InChI InChI=1S/C22H26N4O3/c1-24-18-13-16(23-21(27)15-9-5-6-10-20(15)29-3)17(26-11-7-4-8-12-26)14-19(18)25(2)22(24)28/h5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3,(H,23,27)
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n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to NanoLuc-tagged BRPF1 isoform 1 bromodomain (625-735 aa) (unknown origin) expressed in HEK293 cells co-transfected with histone H3...


ACS Med Chem Lett 5: 1190-5 (2014)


Article DOI: 10.1021/ml5002932
BindingDB Entry DOI: 10.7270/Q2445P29
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peregrin


(Homo sapiens (Human))
BDBM50189349
PNG
(CHEMBL3827941)
Show SMILES CC(C)Oc1cc2n(C)c(=O)n(C)c2cc1NC(=O)c1cccnc1
Show InChI InChI=1S/C18H20N4O3/c1-11(2)25-16-9-15-14(21(3)18(24)22(15)4)8-13(16)20-17(23)12-6-5-7-19-10-12/h5-11H,1-4H3,(H,20,23)
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n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50189386
PNG
(CHEMBL3828357)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1C1=CCNCC1 |t:26|
Show InChI InChI=1S/C22H24N4O3/c1-25-18-12-16(14-8-10-23-11-9-14)17(13-19(18)26(2)22(25)28)24-21(27)15-6-4-5-7-20(15)29-3/h4-8,12-13,23H,9-11H2,1-3H3,(H,24,27)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50189344
PNG
(CHEMBL3827710)
Show SMILES CCCC(=O)Nc1cc2n(C)c(=O)n(C)c2cc1OC(C)C
Show InChI InChI=1S/C16H23N3O3/c1-6-7-15(20)17-11-8-12-13(9-14(11)22-10(2)3)19(5)16(21)18(12)4/h8-10H,6-7H2,1-5H3,(H,17,20)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50189356
PNG
(CHEMBL3827202)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(CCO)c(=O)n(C)c2cc1OC(C)C
Show InChI InChI=1S/C21H25N3O5/c1-13(2)29-19-12-16-17(24(9-10-25)21(27)23(16)3)11-15(19)22-20(26)14-7-5-6-8-18(14)28-4/h5-8,11-13,25H,9-10H2,1-4H3,(H,22,26)
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n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
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